SCHEMBL9054381

SCHEMBL9054381

C=CCNC(=S)NN=C1SC(C)C(=O)N1CC=C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 5/20 0.41
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 4/20 0.36
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PKM P14618 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10890714 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL9053850 0.76 LMNA (0.48) ALDH1A1GAAMAPTNPSR1LMNA
SCHEMBL9053936 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL10887977 0.70 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL10887982 0.70 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL9145266 0.69 ALDH1A1 (0.47) ALDH1A1GAAMAPTNPSR1LMNA
SCHEMBL10880739 0.67 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL10880745 0.67 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL9053887 0.67 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1LMNA
SCHEMBL10881709 0.64 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508955-B1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA GEIGY AG (CH) 1996-06-19 — — EP claimed
EP-0508955-A1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA-GEIGY AG (CH) 1992-10-14 — — EP claimed
EP-0508955-B1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA GEIGY AG (CH) 1996-06-19 — — EP disclosed
US-5229405-A Rheumatic diseases CIBA-GEIGY CORPORATION (US) 1993-07-20 — — US disclosed
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